Ni(5,8-dihydro-5-ethyl-8-oxo-1,3-dioxolo[4,5-g]quinoline-7-carboxylic acid(-H))2(H2O)2 | 952485-93-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: Ni(5,8-dihydro-5-ethyl-8-oxo-1,3-dioxolo[4,5-g]quinoline-7-carboxylic acid(-H))2(H2O)2
• 英文别名: Ni(oxolinic acid(-H))2(H2O)2
• CAS: 952485-93-7
• 化学式: C₂₆H₂₄N₂NiO₁₂
• 分子量: 615.173
• InChiKey: CMJHPDZXOGKQTO-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  nickel(II) chloride hexahydrate 、 水 、 恶喹酸 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 以80%的产率得到Ni(5,8-dihydro-5-ethyl-8-oxo-1,3-dioxolo[4,5-g]quinoline-7-carboxylic acid(-H))2(H2O)2
  参考文献：
  名称：

  Synthesis, characterization and interaction with DNA of mononuclear metal complexes with oxolinic acid

  摘要：

  Seven new neutral mononuclear metal complexes of VO2+, Mn2+, Fe3+, CO2+, Ni2+, Zn2+ and Cd2+ with the quinolone antibacterial agent oxolinic acid (=Hoxo) have been prepared and characterized with physicochemical and spectroscopic techniques. In all the complexes, oxolinic acid acts as a bidentate deprotonated ligand bound to the metal through the pyridone oxygen and one carboxylate oxygen. The metals in all the complexes are six-coordinate with slightly distorted octahedral geometry. The lowest energy model structures of the complexes Fe(oxo)(3), VO(oxo)(2)(H2O) and Mn(oxo)(2)(H2O)(2) have been determined with molecular modeling calculations. The ability of all the complexes to bind to calf-thymus DNA has been investigated with diverse spectroscopic techniques. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.04.031